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141942-59-8 | 1,1,4-Butanetriol, 2,2-dichloro-, 1,1,4-triacetate
CAS No: 141942-59-8 Catalog No: AG001HFU MDL No:
Product Description
Catalog Number:
AG001HFU
Chemical Name:
1,1,4-Butanetriol, 2,2-dichloro-, 1,1,4-triacetate
CAS Number:
141942-59-8
Molecular Formula:
C10H14Cl2O6
Molecular Weight:
301.1206
IUPAC Name:
(4,4-diacetyloxy-3,3-dichlorobutyl) acetate
InChI:
InChI=1S/C10H14Cl2O6/c1-6(13)16-5-4-10(11,12)9(17-7(2)14)18-8(3)15/h9H,4-5H2,1-3H3
InChI Key:
PRCAGFHSFZDMCU-UHFFFAOYSA-N
SMILES:
CC(=O)OCCC(C(OC(=O)C)OC(=O)C)(Cl)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.116g/mol
Monoisotopic Mass:
300.017g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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